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4UFG
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Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2015-03-17
公開日2016-01-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
8HL8
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BU of 8hl8 by Molmil
Crystal structrue of MtdL R257K mutant
分子名称: MANGANESE (II) ION, Transglycosylse
著者Li, F.D, He, C.
登録日2022-11-29
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the NDP-pyranose mutase belonging to glycosyltransferase family 75 reveal residues important for Mn 2+ coordination and substrate binding.
J.Biol.Chem., 299, 2023
8HH0
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BU of 8hh0 by Molmil
Peroxiredoxin from Thermococcus kodakaraensis (TkPrx) F42C/C46S/C205S/C211S mutant modified with 2-(bromoacetyl)naphthalene (Naph@TkPrx*F42C)
分子名称: 1-naphthalen-2-ylethanone, Peroxiredoxin
著者Himiyama, T, Hamaguchi, T, Yonekura, K, Nakamura, T.
登録日2022-11-16
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unnaturally Distorted Hexagonal Protein Ring Alternatingly Reorganized from Two Distinct Chemically Modified Proteins.
Bioconjug.Chem., 2023
4ZXC
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BU of 4zxc by Molmil
Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+
分子名称: FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit
著者Liu, S, Su, T, Zhang, C, Gu, L.
登録日2015-05-20
公開日2015-09-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases.
J.Biol.Chem., 290, 2015
8HD6
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BU of 8hd6 by Molmil
The relaxed pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside
分子名称: MAGNESIUM ION, SPERMIDINE, The relaxed pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-11-03
公開日2023-03-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
8HCT
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BU of 8hct by Molmil
Crystal structure of Cu2+ binding to Dendrorhynchus zhejiangensis ferritin
分子名称: COPPER (II) ION, FE (III) ION, Ferritin, ...
著者Ming, T.H, Su, X.R, Huo, C.H.
登録日2022-11-03
公開日2023-03-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural and Biochemical Characterization of Silver/Copper Binding by Dendrorhynchus zhejiangensis Ferritin.
Polymers (Basel), 15, 2023
4ZXS
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BU of 4zxs by Molmil
HSV-1 nuclear egress complex
分子名称: CHLORIDE ION, NICKEL (II) ION, SODIUM ION, ...
著者Bigalke, J.M, Heldwein, E.E.
登録日2015-05-20
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.772 Å)
主引用文献Structural basis of membrane budding by the nuclear egress complex of herpesviruses.
Embo J., 34, 2015
8HD7
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BU of 8hd7 by Molmil
The intermediate pre-Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside
分子名称: MAGNESIUM ION, SPERMIDINE, The intermediate pre-Tet-S1 state molecule of co-transcriptional folded G264A mutant Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside
著者Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z.
登録日2022-11-03
公開日2023-03-29
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing
Nat Catal, 2023
4ZTA
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BU of 4zta by Molmil
Ebola virus nucleoprotein bound to VP35 chaperoning peptide I212121
分子名称: Polymerase cofactor VP35,Nucleoprotein
著者Kirchdoerfer, R.N, Abelson, D.M, Saphire, E.O.
登録日2015-05-14
公開日2015-05-27
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ebola virus nucleoprotein bound to VP35 chaperoning peptide I212121
to be published
4ZY7
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BU of 4zy7 by Molmil
Crystal structure of a Mycobacterial protein
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Uncharacterized protein MSMEG_5817
著者Shahine, A, Rossjohn, J, Beddoe, T.
登録日2015-05-21
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a Mycobacterial protein
To Be Published
8HFR
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BU of 8hfr by Molmil
NPC-trapped pre-60S particle
分子名称: 25S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Li, Z.Q, Chen, S.J, Sui, S.F.
登録日2022-11-12
公開日2023-04-12
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Nuclear export of pre-60S particles through the nuclear pore complex.
Nature, 618, 2023
8HNZ
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BU of 8hnz by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 6FCWP
分子名称: (3~{S},8~{a}~{S})-3-[(5-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
著者Ma, B.D, Tian, W, Qu, X, Kong, X.D.
登録日2022-12-09
公開日2023-04-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HTA
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BU of 8hta by Molmil
Solution Structure of the C65A/C167A Mutant of Human Lipocalin-type Prostaglandin D Synthase
分子名称: Prostaglandin-H2 D-isomerase
著者Miyamoto, Y, Inui, T.
登録日2022-12-20
公開日2023-04-19
最終更新日2023-08-30
実験手法SOLUTION NMR
主引用文献Structural and interaction analysis of human lipocalin-type prostaglandin D synthase with the poorly water-soluble drug NBQX.
Febs J., 290, 2023
8GY0
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BU of 8gy0 by Molmil
Agrocybe pediades linalool sunthase (Ap.LS)
分子名称: Terpene synthase
著者Rehka, T, Sharma, D, Lin, F, Lim, C, Choong, Y.K, Chacko, J, Zhang, C.
登録日2022-09-21
公開日2023-04-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Structural Understanding of Fungal Terpene Synthases for the Formation of Linear or Cyclic Terpene Products.
Acs Catalysis, 13, 2023
4ZUA
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BU of 4zua by Molmil
Crystal structure of the ExsA regulatory domain
分子名称: Exoenzyme S synthesis regulatory protein ExsA
著者Schubot, F.D.
登録日2015-05-15
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa.
Plos One, 10, 2015
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
分子名称: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1001 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
8HBE
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BU of 8hbe by Molmil
Structure of human soluble guanylate cyclase in the inactive state at 3.1 angstrom
分子名称: Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE
著者Chen, L, Liu, R.
登録日2022-10-28
公開日2023-04-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献NO binds to the distal site of haem in the fully activated soluble guanylate cyclase.
Nitric Oxide, 134-135, 2023
5A1Y
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BU of 5a1y by Molmil
The structure of the COPI coat linkage IV
分子名称: ADP-RIBOSYLATION FACTOR 1, COATOMER SUBUNIT ALPHA, COATOMER SUBUNIT BETA, ...
著者Dodonova, S.O, Diestelkoetter-Bachert, P, von Appen, A, Hagen, W.J.H, Beck, R, Beck, M, Wieland, F, Briggs, J.A.G.
登録日2015-05-06
公開日2015-07-08
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (21 Å)
主引用文献Vesicular Transport. A Structure of the Copi Coat and the Role of Coat Proteins in Membrane Vesicle Assembly.
Science, 349, 2015
8GYN
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BU of 8gyn by Molmil
zebrafish TIPE1 strucutre in complex with PE
分子名称: Tumor necrosis factor alpha-induced protein 8-like protein 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Wang, W, Cao, S.J.
登録日2022-09-23
公開日2023-04-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structural insight into TIPE1 functioning as a lipid transfer protein.
J.Biomol.Struct.Dyn., 41, 2023
4ZW2
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BU of 4zw2 by Molmil
Crystal structure of the Mouse voltage gated calcium channel beta subunit isoform 1a in complex with Alpha Interaction Domain peptide.
分子名称: TRIETHYLENE GLYCOL, Voltage-dependent L-type calcium channel subunit alpha-1S, Voltage-dependent L-type calcium channel subunit beta-1,Voltage-dependent L-type calcium channel subunit beta-1
著者Norris, N.C, Oakley, A.J.
登録日2015-05-19
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and biophysical analyses of the skeletal dihydropyridine receptor beta subunit beta 1a reveal critical roles of domain interactions for stability.
J. Biol. Chem., 292, 2017
8HO0
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BU of 8ho0 by Molmil
Crystal structure of cytochrome P450 NasF5053 mutant E73S complexed with 8FCWP
分子名称: (3~{S},8~{a}~{S})-3-[(7-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, Cytochrome P450-F5053, ...
著者Ma, B.D, Tian, W, Qu, X, Kong, X.D.
登録日2022-12-09
公開日2023-04-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Engineering the Substrate Specificity of a P450 Dimerase Enables the Collective Biosynthesis of Heterodimeric Tryptophan-Containing Diketopiperazines.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HEF
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BU of 8hef by Molmil
The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
著者Yan, M, Zhang, H.
登録日2022-11-08
公開日2023-04-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2.
Antiviral Res., 213, 2023
8HIF
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BU of 8hif by Molmil
One asymmetric unit of Singapore grouper iridovirus capsid
分子名称: Major capsid protein, Penton protein (VP14), VP137, ...
著者Zhao, Z.N, Liu, C.C, Zhu, D.J, Qi, J.X, Zhang, X.Z, Gao, G.F.
登録日2022-11-20
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Near-atomic architecture of Singapore grouper iridovirus and implications for giant virus assembly.
Nat Commun, 14, 2023
8H7Y
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Trans-3/4-proline-hydroxylase H11 with AKG and L-proline
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, PROLINE, ...
著者Gong, W.M, Hu, X.Y.
登録日2022-10-21
公開日2023-04-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structures of L-proline trans-hydroxylase reveal the catalytic specificity and provide deeper insight into AKG-dependent hydroxylation.
Acta Crystallogr D Struct Biol, 79, 2023
4KR3
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BU of 4kr3 by Molmil
Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly
分子名称: GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ...
著者Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W.
登録日2013-05-16
公開日2014-05-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.235 Å)
主引用文献Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation
J.Biol.Chem., 289, 2014

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件を2024-08-14に公開中

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